SCHEMBL6079478

SCHEMBL6079478

CNCCC(Oc1nc(C(F)(F)F)ccc1C#N)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.50
NOS2 P35228 10/20 0.50
SLC6A2 P23975 11/20 0.43
CYP2D6 P10635 10/20 0.43
GPR119 Q8TDV5 1/20 0.37
KCNH2 Q12809 4/20 0.35
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 4/20 0.32
NPC1 O15118 2/20 0.32
CYP2C19 P33261 2/20 0.32
MTOR P42345 2/20 0.32
RAB9A P51151 2/20 0.32
CYP3A4 P08684 2/20 0.32
HTR2C P28335 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6079471 1.00 SLC6A4 (0.50) SLC6A4NOS2SLC6A2CYP2D6GPR119
Hydrochloric Acid SCHEMBL6079158 0.99 SLC6A4 (0.49) SLC6A4NOS2SLC6A2CYP2D6GPR119
Hydrochloric Acid SCHEMBL6079152 0.99 SLC6A4 (0.49) SLC6A4NOS2SLC6A2CYP2D6GPR119
SCHEMBL6079031 0.87 SLC6A4 (0.41) SLC6A4NOS2SLC6A2CYP2D6GPR119
Hydrochloric Acid SCHEMBL6078657 0.86 SLC6A4 (0.42) SLC6A4NOS2SLC6A2CYP2D6GPR119
SCHEMBL6078861 0.85 SLC6A4 (0.52) SLC6A4NOS2SLC6A2CYP2D6GPR119
SCHEMBL6078288 0.84 NOS2 (0.65) SLC6A4NOS2SLC6A2CYP2D6GPR119
Hydrochloric Acid SCHEMBL6079500 0.84 SLC6A4 (0.53) SLC6A4NOS2SLC6A2CYP2D6GPR119
Hydrochloric Acid SCHEMBL6077883 0.83 NOS2 (0.64) SLC6A4NOS2SLC6A2CYP2D6GPR119
SCHEMBL6079296 0.82 SLC6A4 (0.46) SLC6A4NOS2GPR119MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US claimed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 US claimed
EP-1421067-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003011831-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO claimed
US-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US disclosed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS2, NOS1 SLC6A4 1543/4885NOS2 2/4885SLC6A2 862/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.